SCHEMBL4870556

SCHEMBL4870556

CC(C)(C)OC(=O)N1CCc2nc(C(F)(F)F)ncc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PDGFRB P09619 1/20 0.43
MAPK1 P28482 2/20 0.41
ENPP2 Q13822 1/20 0.40
HPGDS O60760 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39
SCN9A Q15858 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAP3K5 Q99683 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3133107 0.91 MAPT (0.52) MAPTESR2NR1H2DDB1CRBN
SCHEMBL3873146 0.89 DDB1 (0.51) MAPTESR2NR1H2DDB1CRBN
SCHEMBL30378007 0.84 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL4869824 0.84 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL25574538 0.84 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL17183931 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL29757600 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL19475563 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL3530060 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL3878893 0.82 MAPT (0.64) MAPTESR2NR1H2DDB1CRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MAPT 3014/4885ESR2 3005/4885NR1H2 3748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.